3-chloro-2,5-dimethylthiophene

C6H7ClS — CID 14900750

IUPAC3-chloro-2,5-dimethylthiophene
SMILESCc1cc(Cl)c(C)s1
InChIInChI=1S/C6H7ClS/c1-4-3-6(7)5(2)8-4/h3H,1-2H3
InChIKeyPHGYDZAYLOPRSV-UHFFFAOYSA-N
MW146.64 g/mol
LogP3.02
Rot. Bonds

About 3-chloro-2,5-dimethylthiophene

3-chloro-2,5-dimethylthiophene (PubChem CID 14900750) has the molecular formula C6H7ClS and a molecular weight of 146.64 g/mol. Its IUPAC name is 3-chloro-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-chloro-2,5-dimethylthiophene
PubChem CID14900750
Molecular FormulaC6H7ClS
Molecular Weight146.64 g/mol
Exact Mass146.00
IUPAC Name3-chloro-2,5-dimethylthiophene
SMILESCc1cc(Cl)c(C)s1
InChIInChI=1S/C6H7ClS/c1-4-3-6(7)5(2)8-4/h3H,1-2H3
InChIKeyPHGYDZAYLOPRSV-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.64
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethylthiophene?
The IUPAC name of 3-chloro-2,5-dimethylthiophene (CID 14900750) is 3-chloro-2,5-dimethylthiophene.
What is the SMILES notation for 3-chloro-2,5-dimethylthiophene?
The canonical SMILES for 3-chloro-2,5-dimethylthiophene is Cc1cc(Cl)c(C)s1.
What is the InChIKey of 3-chloro-2,5-dimethylthiophene?
The InChIKey is PHGYDZAYLOPRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClS/c1-4-3-6(7)5(2)8-4/h3H,1-2H3.
What are the key properties of 3-chloro-2,5-dimethylthiophene?
3-chloro-2,5-dimethylthiophene has a molecular weight of 146.64 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethylthiophene is sourced from PubChem (CID 14900750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).